2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid

C10H19NO4S — CID 64815460

IUPAC2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CS(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H19NO4S/c1-7(2)6-16(14,15)11-9-5-3-4-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyBICZPPCXOINOAC-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.82
Rot. Bonds5

About 2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid

2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64815460) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID64815460
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CS(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H19NO4S/c1-7(2)6-16(14,15)11-9-5-3-4-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyBICZPPCXOINOAC-UHFFFAOYSA-N
XLogP0.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid (CID 64815460) is 2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid is CC(C)CS(=O)(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is BICZPPCXOINOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7(2)6-16(14,15)11-9-5-3-4-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid?
2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).